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	hartrees
Energy at 0K	-278.916997
Energy at 298.15K	-278.919387
HF Energy	-278.916997
Nuclear repulsion energy	120.874291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1561	1418	234.25
2	A₁	1095	995	85.25
3	A₁	749	680	4.58
4	B₁	879	798	27.49
5	B₂	1850	1681	1010.73
6	B₂	594	539	11.31

Atom	y (Å)	z (Å)
N1	0.000	-0.099
O2	0.000	1.242
O3	1.065	-0.578
O4	-1.065	-0.578

	N1	O2	O3	O4
N1		1.3412	1.1677	1.1677
O2	1.3412		2.1089	2.1089
O3	1.1677	2.1089		2.1296
O4	1.1677	2.1089	2.1296

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	114.230		O2	N1	O4	114.230
O3	N1	O4	131.540

All results from a given calculation for NO₃ (Nitrogen trioxide)

using model chemistry: HF/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	0.434
2	O	0.033
3	O	-0.233
4	O	-0.233

	x	y	z	Total
	0.000	0.000	1.258	1.258
CHELPG
AIM
ESP

<r²>	49.674
(<r²>)^1/2	7.048

All results from a given calculation for NO3 (Nitrogen trioxide)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for NO₃ (Nitrogen trioxide)